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Home > Pyridines > 805983-92-0
805983-92-0 | 4-(pyridin-2-yl)-2,3-dihydro-1,3-thiazol-2-one
CAS No: 805983-92-0 Catalog No: AG01A8D5 MDL No:MFCD11220476
Product Description
Catalog Number:
AG01A8D5
Chemical Name:
4-(pyridin-2-yl)-2,3-dihydro-1,3-thiazol-2-one
CAS Number:
805983-92-0
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD11220476
IUPAC Name:
4-pyridin-2-yl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-3-1-2-4-9-6/h1-5H,(H,10,11)
InChI Key:
BTIRGDFIZZGHDN-UHFFFAOYSA-N
SMILES:
O=c1scc([nH]1)c1ccccn1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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